1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one

C12H11F3N2O — CID 8003357

IUPAC1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCc1cc(C(F)(F)F)c2c(C)cc(=O)n(C)c2n1
InChIInChI=1S/C12H11F3N2O/c1-6-4-9(18)17(3)11-10(6)8(12(13,14)15)5-7(2)16-11/h4-5H,1-3H3
InChIKeyMIKATWUQXLARMZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.57
Rot. Bonds

About 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one

1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 8003357) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID8003357
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCc1cc(C(F)(F)F)c2c(C)cc(=O)n(C)c2n1
InChIInChI=1S/C12H11F3N2O/c1-6-4-9(18)17(3)11-10(6)8(12(13,14)15)5-7(2)16-11/h4-5H,1-3H3
InChIKeyMIKATWUQXLARMZ-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 8003357) is 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one is Cc1cc(C(F)(F)F)c2c(C)cc(=O)n(C)c2n1.
What is the InChIKey of 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is MIKATWUQXLARMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-6-4-9(18)17(3)11-10(6)8(12(13,14)15)5-7(2)16-11/h4-5H,1-3H3.
What are the key properties of 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one?
1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 256.23 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-5-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 8003357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).